1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole

C39H24N4Se — CID 59691207

IUPAC1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole
SMILESc1ccc2c(c1)[se]c1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-n3c4ccccc4c4ccccc43)n12
InChIInChI=1S/C39H24N4Se/c1-5-15-31-27(11-1)28-12-2-6-16-32(28)41(31)26-23-21-25(22-24-26)37-38(43-35-19-9-10-20-36(35)44-39(43)40-37)42-33-17-7-3-13-29(33)30-14-4-8-18-34(30)42/h1-24H
InChIKeyTYCXJNUDFGMOCY-UHFFFAOYSA-N
MW627.61 g/mol
LogP9.41
Rot. Bonds3

About 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole

1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole (PubChem CID 59691207) has the molecular formula C39H24N4Se and a molecular weight of 627.61 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole.

Molecular Properties

Compound Name1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole
PubChem CID59691207
Molecular FormulaC39H24N4Se
Molecular Weight627.61 g/mol
Exact Mass628.12
IUPAC Name1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole
SMILESc1ccc2c(c1)[se]c1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-n3c4ccccc4c4ccccc43)n12
InChIInChI=1S/C39H24N4Se/c1-5-15-31-27(11-1)28-12-2-6-16-32(28)41(31)26-23-21-25(22-24-26)37-38(43-35-19-9-10-20-36(35)44-39(43)40-37)42-33-17-7-3-13-29(33)30-14-4-8-18-34(30)42/h1-24H
InChIKeyTYCXJNUDFGMOCY-UHFFFAOYSA-N
XLogP9.41
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.61
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole?
The IUPAC name of 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole (CID 59691207) is 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole.
What is the SMILES notation for 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole?
The canonical SMILES for 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole is c1ccc2c(c1)[se]c1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-n3c4ccccc4c4ccccc43)n12.
What is the InChIKey of 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole?
The InChIKey is TYCXJNUDFGMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4Se/c1-5-15-31-27(11-1)28-12-2-6-16-32(28)41(31)26-23-21-25(22-24-26)37-38(43-35-19-9-10-20-36(35)44-39(43)40-37)42-33-17-7-3-13-29(33)30-14-4-8-18-34(30)42/h1-24H.
What are the key properties of 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole?
1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole has a molecular weight of 627.61 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]benzoselenazole is sourced from PubChem (CID 59691207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).